N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2,4-dimethoxybenzamide

C20H19N5O3 — CID 5136552

IUPACN-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C)nn2-c2nc3ccccc3[nH]2)c(OC)c1
InChIInChI=1S/C20H19N5O3/c1-12-10-18(23-19(26)14-9-8-13(27-2)11-17(14)28-3)25(24-12)20-21-15-6-4-5-7-16(15)22-20/h4-11H,1-3H3,(H,21,22)(H,23,26)
InChIKeyFUAJVYAMQGQUJP-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.33
Rot. Bonds5

About N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2,4-dimethoxybenzamide

N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2,4-dimethoxybenzamide (PubChem CID 5136552) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2,4-dimethoxybenzamide
PubChem CID5136552
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC NameN-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C)nn2-c2nc3ccccc3[nH]2)c(OC)c1
InChIInChI=1S/C20H19N5O3/c1-12-10-18(23-19(26)14-9-8-13(27-2)11-17(14)28-3)25(24-12)20-21-15-6-4-5-7-16(15)22-20/h4-11H,1-3H3,(H,21,22)(H,23,26)
InChIKeyFUAJVYAMQGQUJP-UHFFFAOYSA-N
XLogP3.33
TPSA94.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2,4-dimethoxybenzamide (CID 5136552) is N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2cc(C)nn2-c2nc3ccccc3[nH]2)c(OC)c1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2,4-dimethoxybenzamide?
The InChIKey is FUAJVYAMQGQUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-12-10-18(23-19(26)14-9-8-13(27-2)11-17(14)28-3)25(24-12)20-21-15-6-4-5-7-16(15)22-20/h4-11H,1-3H3,(H,21,22)(H,23,26).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2,4-dimethoxybenzamide?
N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2,4-dimethoxybenzamide has a molecular weight of 377.40 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 5136552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).